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	hartrees
Energy at 0K	-28.866543
Energy at 298.15K
HF Energy	-28.866543
Nuclear repulsion energy	41.994023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3294	3006	6.12	203.71	0.10	0.19
2	A₁	1654	1509	0.94	4.00	0.35	0.52
3	A₁	1372	1252	9.49	34.65	0.13	0.23
4	A₁	1248	1139	0.12	14.47	0.16	0.28
5	A₁	897	819	102.08	15.99	0.69	0.82
6	A₂	3392	3095	0.00	102.11	0.75	0.86
7	A₂	1283	1171	0.00	3.69	0.75	0.86
8	A₂	1118	1020	0.00	0.01	0.75	0.86
9	B₁	3408	3110	56.20	10.95	0.75	0.86
10	B₁	1227	1120	8.39	12.38	0.75	0.86
11	B₁	887	810	0.73	5.23	0.75	0.86
12	B₂	3276	2990	33.63	7.31	0.75	0.86
13	B₂	1621	1479	0.29	4.23	0.75	0.86
14	B₂	1271	1160	5.17	2.23	0.75	0.86
15	B₂	874	798	7.02	18.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.877
C2	0.000	0.741	-0.388
C3	0.000	-0.741	-0.388
H4	0.911	1.273	-0.591
H5	-0.911	1.273	-0.591
H6	-0.911	-1.273	-0.591
H7	0.911	-1.273	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4660	1.4660	2.1462	2.1462	2.1462	2.1462
C2	1.4660		1.4811	1.0741	1.0741	2.2188	2.2188
C3	1.4660	1.4811		2.2188	2.2188	1.0741	1.0741
H4	2.1462	1.0741	2.2188		1.8212	3.1296	2.5451
H5	2.1462	1.0741	2.2188	1.8212		2.5451	3.1296
H6	2.1462	2.2188	1.0741	3.1296	2.5451		1.8212
H7	2.1462	2.2188	1.0741	2.5451	3.1296	1.8212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.661	O1	C2	H4	114.440
O1	C2	H5	114.440	O1	C3	C2	59.661
O1	C3	H6	114.440	O1	C3	H7	114.440
C2	O1	C3	60.679	C2	C3	H6	119.691
C2	C3	H7	119.691	C3	C2	H4	119.691
C3	C2	H5	119.691	H4	C2	H5	115.944
H6	C3	H7	115.944

All results from a given calculation for C₂H₄O (Ethylene oxide)

using model chemistry: HF/CEP-121G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.400
2	C	-0.102
3	C	-0.102
4	H	0.151
5	H	0.151
6	H	0.151
7	H	0.151

	x	y	z	Total
	0.000	0.000	-2.904	2.904
CHELPG
AIM
ESP

<r²>	32.876
(<r²>)^1/2	5.734

All results from a given calculation for C2H4O (Ethylene oxide)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₂H₄O (Ethylene oxide)